This is the first book to provide a comprehensive treatment of theories and applications in the rapidly expanding field of the crystallography of modular materials. Molecules are the natural modules from which molecular crystalline structures are built. Most inorganic structures, however, are infinite arrays of atoms and some kinds of surrogate modules, e.g. co-ordination polyhedra, are usually used to describe them. In recent years the attention has been focused on complex modules as the basis for a systematic description of polytypes and homologous/polysomatic series (modular structures). This representation is applied to the modelling of unknown structures and understanding nanoscale defects and intergrowths in materials. The Order/Disorder (OD) theory is fundamental to developing a systematic theory of polytypism, dealing with those structures based on both ordered and disordered stacking of one or more layers. Twinning at both unit-cell and micro-scale, together with disorder, causes many problems, "demons", for computer-based methods of crystal structure determination. This book develops the theory of twinning with the inclusion of worked examples, converting the "demons" into useful indicators for unravelling crystal structure. In spite of the increasing use of the concepts of modular crystallography for characterising, understanding and tailoring technological crystalline materials, this is the first book to offer a unified treatment of the results, which are spread across many different journals and original papers published over the last twenty years.

The fundamentals of astrochemistry in the gas phase are relatively well established, in contrast to the special relevance attributed to processes involving interstellar dust grains - the solid component of matter diffused among the stars.
This book presents the state of the art in relation to the ways grains interact with gases, the catalytic role played by dust that allows key molecular species (H2 as well as many complex, possibly prebiotic species) to be formed on its surface - which cannot be obtained efficiently by any other mechanisms, and the interaction between solids (dust grains, icy mantles, cometary nuclei, satellites of the giant planets and minor bodies in the Solar system) in space and energetic agents such as UV photons and fast particles.
The presence and importance of PAH, which may represent the smallest component of the grains, is considered in relation to possible astrobiological pathways and the ever-present mystery of the ubiquitous presence of Diffuse Interstellar Bands and their carriers.

The book targets a broad readership. First of all, it targets young researchers (postgraduate students) in solid state physics (both physicists and theoretical chemists) as it contains a wide and comprehensive coverage of all important branches of the subject including an up-to-date survey of recent revolutionary advances in quantum mechanics which have made it possible not only to calculate many properties of molecules and solids in close agreement with experiment, but to make reliable predictions in cases when a direct experiment is not possible (e.g. the Earth core). Secondly, it should be a valuable asset to established researchers in the areas of materials science, solid-state physics and chemistry due to very detailed explanations of a wide range of phenomena ranging from symmetry, lattice vibrations, electronic structure and superconductivity to magnetic and dielectric properties. Rigour and detail in explaining complicated mathematical techniques and in providing derivations when talking of various physical concepts are essential for those who would like to really understand things they have never had a chance to. Because of that and of the fact that the book contains a lot of material from different areas of solid-state physics retold from a single viewpoint, it should be indispensable for lecturers. Not only a number of courses, both general and specialised, should be possible to set up, but these courses may also be of a different level of difficulty ranging from undergraduate, postgraduate and then to highly advanced ones. This is because of a clear marking system adopted in the book. Hence, it should also be useful for advanced third- and fourth-year undergraduate students.

In the new edition of this widely praised textbook, all the chapters have been revised and the authors have brought the work completely up to date by the addition of new material on numerous topics. In recent years, solid state chemistry has emerged as a very important element of mainstream chemistry and materials science. Students, teachers and researchers need to understand the chemistry of solids because of the crucial role this plays in determining the properties of materials. An understanding of solid state chemistry is also essential in materials design, and many fascinating relationships between the structure and properties of solids have been discovered by chemists. This text requires only an understanding of basic physics, chemistry and crystallography, and is enhanced with the most recent examples, case studies and references. It will be of value to advanced students and researchers studying solid state chemistry and materials science as a text and reference work.

This book presents a computational scheme for calculating the electronic properties of crystalline systems at an ab-ini tio Hartree-Fock level of approximation. The first chapter is devoted to discussing in general terms the limits and capabilities of this approximation in solid state studies, and to examining the various options that are open for its implementation. The second chapter illustrates in detail the algorithms adopted in one specific computer program, CRYSTAL, to be submitted to QCPE. Special care is given to illustrating the role and in: fluence of computational parameters, because a delicate compromise must always be reached between accuracy and costs. The third chapter describes a number of applications, in order to clarify the possible use of this kind of programs in solid state physics and chemistry. Appendices A, B, and C contain various standard expressions, formulae, and definitions that may be useful for reference purposes; appendix D is intended to facilitate the interpretations of symbols, conventions, and acronyms that occur in the book. Thanks are due to all those who have contributed to the implementation and test of the CRYSTAL program, especially to V.R. Saunders and M. Causal, and to F. Ricca, E. Ferrero, R. Or lando, E. Ermondi, G. Angonoa, P. Dellarole, G. Baracco

Long awaited, this textbook fills the gap for convincing concepts to describe amorphous solids. Adopting a unique approach, the author develops a framework that lays the foundations for a theory of amorphousness. He unravels the scientific mysteries surrounding the topic, replacing rather vague notions of amorphous materials as disordered crystalline solids with the well-founded concept of ideal amorphous solids. A classification of amorphous materials into inorganic glasses, organic glasses, glassy metallic alloys, and thin films sets the scene for the development of the model of ideal amorphous solids, based on topology- and statistics-governed rules of three-dimensional sphere packing, which leads to structures with no short, mid or long-range order. This general model is then concretized to the description of specific compounds in the four fundamental classes of amorphous solids, as well as amorphous polyethylene and poly(methyl)methacrylate, emphasizing its versatility and descriptive power. Finally, he includes example applications to indicate the abundance of amorphous materials in modern-day technology, thus illustrating the importance of a better understanding of their structure and properties. Equally ideal as supplementary reading in courses on crystallography, mineralogy, solid state physics, and materials science where amorphous materials have played only a minor role until now.

A polymer physics textbook for upper level undergraduates and first year graduate students that can also be used as a useful reference for scientists and engineers working with polymers.

This comprehensive textbook provides a modern, self-contained treatment for upper undergraduate and graduate level students. It emphasizes the links between structure, defects, bonding, and properties throughout, and provides an integrated treatment of a wide range of materials, including crystalline, amorphous, organic and nano- materials. Boxes on synthesis methods, characterization tools, and technological applications distil specific examples and support student understanding of materials and their design. The first six chapters cover the fundamentals of extended solids, while later chapters explore a specific property or class of material, building a coherent framework for students to master core concepts with confidence, and for instructors to easily tailor the coverage to fit their own single semester course. With mathematical details given only where they strengthen understanding, 400 original figures and over 330 problems for hands-on learning, this accessible textbook is ideal for courses in chemistry and materials science.

For many years it was believed that translational symmetry would be the fundamental property of crystal structures of natural and synthetic compounds. It is now recognised that many compounds crystallise without translational symmetry of their atomic structures. "Incommensurate Crystallography" gives a comprehensive account of the superspace theory for the description of crystal structures and symmetries of these incommensurately modulated crystals and incommensurate composite crystals. It thus provides the necessary background for quantitative analysis of incommensurate crystals by methods in Solid State Chemistry and Solid State Physics. The second half of "Incommensurate Crystallography" is devoted to crystallographic methods of structural analysis of incommensurate compounds. Thorough accounts are given of the diffraction by incommensurate crystals, the choice of parameters in structure refinements, and the use of superspace in analysing crystal structures. The presentation of methods of structure determination includes modern methods like the Maximum Entropy Method and Charge Flipping.

The enormous size of polymer molecules causes their molecular motions to span a broad range of length scales and give rise to viscoelastic behavior. This rate-dependence of the properties is a predominant characteristic of soft materials (rubbers, biopolymers, lubricants, adhesives, etc.). Improving the performance and developing new applications for soft materials require an understanding of the basic principles of how molecular motions underlie physical properties.
This text is intended to provide grounding in fundamental aspects of the dynamic behavior of rubbery materials, adopting a molecular perspective in its treatment to emphasize how microscopic processes are connected to the observed macroscopic behavior. The latest discoveries and advances in the science and technology of rubbery materials are described and critically analyzed.

Polymers in Solution is devoted to the static properties of flexible polymers in solution. It presents the progress made by both theory and experiment in the years up to its original publication in 1990, and remains one of the most advanced books available on this subject. Despite the variety in the chemical composition and physical properties of long polymer chains, when in solution they show a universality in their behaviour. On the experimental side, the use of photon and neutron scattering has led to a better understanding, while the use of computer simulation has also produced interesting results. This work is the result of a collaboration between a theoretician and an experimentalist, who have both worked for many years on polymer solutions.

Now in paperback, this book provides an overview of the physics of condensed matter systems. Assuming a familiarity with the basics of quantum mechanics and statistical mechanics, the book establishes a general framework for describing condensed phases of matter based on symmetries and conservation laws. After surveying the structure and properties of materials with different symmetries, it explores the role of spatial dimensionality and microscopic interactions in determining the nature of phase transitions. Particular attention is given to critical phenomena and renormalization group methods. The properties of liquids, liquid crystals, quasicrystals, crystalline solids, magnetically ordered systems and amorphous solids are investigated in terms of their symmetry, generalized rigidity, hydrodynamics and topological defect structure. In addition to serving as a course text, this book is an essential reference for students and researchers in physics, applied physics, chemistry, materials science and engineering, who are interested in modern condensed matter physics.

This book provides a comprehensive and unified account of the structure and properties of crystalline binary adducts. Perhaps better known as molecular complexes and compounds, these crystals are currently estimated (from molecular recognition studies) to make up one quarter of the world's crystals, providing evidence for some sort of special attraction between the two components. DNA is perhaps the most famous example but others (hydrates, solvates, host-guest inclusion complexes, donor-acceptor compounds) pervade the whole body of solid state chemistry. Although much research has been published, there has never been a comprehensive and unified treatment of the whole field. This book has been designed to fill this gap, comparing and contrasting the various examples and the different types of interaction (hydrogen bonding, inclusion and localized or delocalized charge transfer). More than 600 figures, 200 tables and 3500 references are included in the book. Since most 'parent compounds' form a number of adducts, the fraction of crystalline binary adducts is only going to grow making this account just the 'tip of the iceberg.'

This book has been written for those who study or professionally deal with solid state physics. It contains modern concepts about the physics of electrons in solids. It is written using a minimum of mathematics. The emphasis is laid on various physical models aimed at stimulating creative thinking. The book helps the reader choose the most efficient scheme of an experiment or the optimal algorithm of a calculation. Boltzmann and hopping types of conductivity are compared. The qualitative theory of weak localization is presented and its links with the true localization and metal-insulator transitions. Processes that determine the structure of impurity bands are revealed. The concepts introduced in this book are applied to descriptions of granular metals and quasicrystals, as well as the integer quantum Hall effect, emphasizing their universality.

With a modern, comprehensive approach directed towards computational mechanics, this book covers a unique combination of subjects at present unavailable in any other text. It includes vital information on ‘variational principles’ constituting the cornerstone of the finite element method. In fact this is the only method by which Nonlinear Solid Mechanics is utilized in engineering practice. The book opens with a fundamental chapter on vectors and tensors. The following chapters are based on nonlinear continuum mechanics - an inevitable prerequisite for computational mechanicians. In addition, continuum field theory (applied to a representative sample of hyperelastic materials currently used in nonlinear computations such as incompressible and compressible materials) is presented, as are transversely isotropic materials, composite materials, viscoelastic materials and hyperelastic materials with isotropic damage. Another central chapter is devoted to the thermodynamics of materials, covering both finite thermoelasticity and finite thermoviscoelasticity. Also included are:

• an up-to-date list of almost 300 references and a comprehensive index
• useful examples and exercises for the student
• selected topics of statistical and continuum thermodynamics.

The weak or non-conventional hydrogen bond has been the subject of intense scrutiny over recent years. Now available in paperback, this highly acclaimed book provides a critical assessment on this interesting and occasionally controverstial interaction type.

Recent years have seen a considerable growth of interest in chemical aspects of the electronic structure of solids. Most books on solids are addressed to physicists, and present a more mathematical and fundamental account of the subject than is appropriate for students of chemistry. The present book takes a different view, and shows how the electronic structures and properties of solids can be described in terms familiar to chemists. The first three chapters give a fairly elementary account, suitable for undergraduate students with a reasonable grounding in inorganic and physical chemistry. The later chapters present slightly more advanced aspects, including many topics of current research interest, such as metal-insulator transitions, low-dimensional solids and 'molecular metals', and the properties of surfaces. The discussion is illustrated by a wide variety of examples.

This book covers the fundamentals of conventional transmission electron microscopy (CTEM) as applied to crystalline solids. In addition to including a large selection of worked examples and homework problems, the volume is accompanied by a supplementary website (http://ctem.web.cmu.edu/) containing interactive modules and over 30,000 lines of free Fortran 90 source code. The work is based on a lecture course given by Marc De Graef in the Department of Materials Science and Engineering at Carnegie Mellon University.

How can elements be combined to produce a solid with specified properties? This book acquaints readers with the established principles of crystallography and cohesive forces needed to address the fundamental relationship among composition, structure and bonding. Starting with an introduction to periodic trends, the book discusses crystal structures and the various primary and secondary bonding types, and finishes by describing a number of models for predicting phase stability and structure. Its large number of worked examples, exercises, and detailed descriptions of numerous crystal structures make this an outstanding advanced undergraduate or graduate-level textbook for students of materials science.

Solid State Chemistry and its Applications, 2nd Edition: Student Edition is an extensive update and sequel to the bestselling textbook Basic Solid State Chemistry, the classic text for undergraduate teaching in solid state chemistry worldwide. Solid state chemistry lies at the heart of many significant scientific advances from recent decades, including the discovery of high-temperature superconductors, new forms of carbon and countless other developments in the synthesis, characterisation and applications of inorganic materials. Looking forward, solid state chemistry will be crucial for the development of new functional materials in areas such as energy, catalysis and electronic materials. This revised edition of Basic Solid State Chemistry has been completely rewritten and expanded to present an up-to-date account of the essential topics and recent developments in this exciting field of inorganic chemistry. Each section commences with a gentle introduction, covering basic principles, progressing seamlessly to a more advanced level in order to present a comprehensive overview of the subject. This new Student Edition includes the following updates and new features: * Expanded coverage of bonding in solids, including a new section on covalent bonding and more extensive treatment of metallic bonding. * Synthetic methods are covered extensively and new topics include microwave synthesis, combinatorial synthesis, mechano-synthesis, atomic layer deposition and spray pyrolysis. * Revised coverage of electrical, magnetic and optical properties, with additional material on semiconductors, giant and colossal magnetoresistance, multiferroics, LEDs, fibre optics and solar cells, lasers, graphene and quasicrystals. * Extended chapters on crystal defects and characterisation techniques. * Published in full colour to aid comprehension. * Extensive coverage of crystal structures for important families of inorganic solids is complemented by access to CrystalMaker(R) visualization software, allowing readers to view and rotate over 100 crystal structures in three dimensions. * Solutions to exercises and supplementary lecture material are available online. Solid State Chemistry and its Applications, 2nd Edition: Student Edition is a must-have textbook for any undergraduate or new research worker studying solid state chemistry.

In crystal chemistry and crystal physics, the relations between the symmetry groups (space groups) of crystalline solids are of special importance. Part 1 of this book presents the necessary mathematical foundations and tools: the fundamentals of crystallography with special emphasis on symmetry, the theory of the crystallographic groups, and the formalisms of the needed crystallographic computations. Part 2 gives an insight into applications to problems in crystal chemistry. With the aid of numerous examples, it is shown how crystallographic group theory can be used to make evident relationships between crystal structures, to set up a systematic order in the huge amount of known crystal structures, to predict crystal structures, to analyse phase transitions and topotactic reactions in the solid state, to understand the formation of domains and twins in crystals, and to avoid errors in crystal structure determinations. A broad range of end-of-chapter exercises offers the possibility to apply the learned material. Worked-out solutions to the exercises can be found at the end of the book.

The quest for efficient and durable battery technologies is one of the key challenges for enabling the transition to renewable energy economies. Magnesium batteries, and in particular rechargeable non-aqueous systems, are an area of extensive opportunity and intense research. Rechargeable magnesium batteries hold numerous advantages over current lithium-ion batteries, namely the relative abundance of magnesium to lithium and the potential for magnesium batteries to greatly outperform their Li-ion counterparts. Magnesium Batteries comprehensively outlines the scientific and technical challenges in the field, covering anodes, cathodes, electrolytes and particularly promising systems such as the Mg-S cell. Edited by a leading figure in the field of electrochemical energy storage, with contributions from global experts, this book is a vital resource for students and researchers at all levels. Whether entering into the subject for the first time or extending their knowledge of battery materials across chemistry, physics, energy, engineering and materials science this book provides an ideal reference for anyone interested in the state-of-the-art and future of magnesium batteries.

The structure of much of solid-state theory comes directly from group theory, but until now there has been no elementary introduction to the band theory of solids which adopts this approach. This book provides such an introduction, employing only the simplest and most basic of group theoretical ideas, and emphasizing the significance of symmetry in determining many of the essential concepts used in the subject. Given the extensive training of chemists in applying group theory, there is no quicker entry into the subject than by means of the approach used in this book. Many topics were chosen with the needs of chemists in mind, and many of the examples have a chemical flavour. Numerous problems are included which enable the reader to apply the major ideas and to complete some parts of the treatment. Chemists will find this a valuable introduction to band theory, and the book will also appeal to all physical scientists who would like to go a little beyond the elementary treatments so far available.

This sixth volume of the Crystallographic Computing series explores the application of windowing techniques and object-oriented programming to crystallography. Featuring presentations given at the renowned Vesprem School on Crystallographic Computing, the book covers a wide range of subjects regarding the state of crystallographic software, such as recent advances in powder diffraction techniques, structure and solution, and refinement. The tricky problem of dealing with disorder in the interpretation of diffraction data is given clear coverage. In addition, introductory sections explaining new features in program systems are included, and, in an age of ever-increasing quantities of data, the rationale behind the standardization and portability of crystallographic data through the use of CIF files is cogently defined. The book will appeal to crystallography teachers, students, and researchers interested in the latest computer applications in their field.

Most people are familiar with the fact that diamond and graphite are both composed only of carbon; yet they have very different properties which result from the very different structures of the two solids - they are polymorphs of carbon. Understanding the relationship between the structures and the properties of materials is of fundamental importance in developing and producing new materials with improved or new properties. The existence of polymorphic systems allows the direct study of the connection between structures and properties. This book provides grounding on the fundamental structural and energetic basis for polymorphism, the preparation and characterization of polymorphic substances and its importance in the specific areas of pharmaceuticals, pigments and high energy (explosive) materials. The closing chapter describes the intellectual property implications and some of the precedent patent litigations in which polymorphism has played a central role. The book contains over 2500 references to provide a ready entry into the relevant literature.